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CHEBI:208758 - Insulicolide B

ChEBI IDCHEBI:208758
ChEBI NameInsulicolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H25NO7
Net Charge0
Average Mass415.442
Monoisotopic Mass415.16310
SMILESC[C@]1(COC(=O)c2ccc([N+](=O)[O-])cc2)CCC[C@]2(C)[C@H]3COC(=O)C3=C[C@@H](O)[C@@H]12
InChIInChI=1S/C22H25NO7/c1-21(12-30-19(25)13-4-6-14(7-5-13)23(27)28)8-3-9-22(2)16-11-29-20(26)15(16)10-17(24)18(21)22/h4-7,10,16-18,24H,3,8-9,11-12H2,1-2H3/t16-,17+,18-,21+,22+/m0/s1
InChIKeyOJYDAIRJVVQDEZ-PEVTXAFISA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (29297688)
ChEBI Ontology
Outgoing Relation(s)
Insulicolide B (CHEBI:208758) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(5R,5aR,6S,9aR,9bR)-5-hydroxy-6,9a-dimethyl-3-oxo-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzouran-6-yl]methyl 4-nitrobenzoate
Manual XrefsDatabases
64808791ChemSpider